SCHEMBL7980023

SCHEMBL7980023

CNC(=O)c1cn(Cc2ccc(OC)cc2)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.60
▸ DGAT1 O75907 1/20 0.55
▸ GAA P10253 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15049569 0.88 GAA (0.59) KLKB1DGAT1GAA
SCHEMBL3355699 0.87 GAA (0.54) KLKB1DGAT1GAA
SCHEMBL2361709 0.87 GAA (0.54) KLKB1DGAT1GAA
SCHEMBL20521837 0.86 GAA (0.53) KLKB1DGAT1GAA
SCHEMBL3356363 0.84 GAA (0.51) KLKB1DGAT1GAA
SCHEMBL1049941 0.83 GAA (0.56) KLKB1DGAT1GAA
SCHEMBL1048741 0.81 KLKB1 (0.48) KLKB1DGAT1GAA
SCHEMBL14150628 0.81 KLKB1 (0.48) KLKB1DGAT1GAA
SCHEMBL19253528 0.79 HPGD (0.50) KLKB1DGAT1
SCHEMBL21420053 0.76 HSP90AA1 (0.43) KLKB1DGAT1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 — — US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 — — US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 — — US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 — — US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 KLKB1 1387/4885DGAT1 137/4885GAA 1904/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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